Decoupling approach to solving multicomponent reactive transport 
model in heterogeneous domain

HUO Ji-xiang; SONG Han-zhou

doi:10.16285/j.rsm.2015.S2.007

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Decoupling approach to solving multicomponent reactive transport model in heterogeneous domain

更新时间：2026-06-25

- Decoupling approach to solving multicomponent reactive transport model in heterogeneous domain
- Vol. 36, Issue S2, Pages: 57-63(2015)
- 作者机构：
  
  河海大学地球科学与工程学院,江苏,南京,210098
- 作者简介：
- 基金信息：
- DOI：10.16285/j.rsm.2015.S2.007
  CLC： TB115
- Online First：14 June 2018，
  
  Published：2015
- 稿件说明：
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HUO Ji-xiang, SONG Han-zhou. Decoupling approach to solving multicomponent reactive transport model in heterogeneous domain[J]. 2015, 36(S2): 57-63.
DOI：

HUO Ji-xiang, SONG Han-zhou. Decoupling approach to solving multicomponent reactive transport model in heterogeneous domain[J]. 2015, 36(S2): 57-63. DOI： 10.16285/j.rsm.2015.S2.007.

摘要

近些年来地下水中多组分反应-运移模型在地球科学及环境领域开始得到应用，但其求解较为复杂，为了提高计算效率，可以采用去耦合化方法处理，从而使模型求解得到简化。针对自然界中广泛存在的非均质地质体，提出该类条件下的去耦合化方法，即根据水-岩间、水溶组分间反应的不同，将整个研究区划分为若干子区域，获得对应的去耦合化矩阵。对化学场中各子区域间相邻边界进行设定，达到简化模型求解的目的。最后，以一维非均质介质中基于热力学平衡的反应-运移问题作为算例，基于以上方法进行求解，并与该算例经PHAST软件所示的结果较为一致。结果表明，基于去耦合化方法获得的各离子浓度随时间演变和沿空间分布特征与PHAST所示的结果较为一致，显示该方法在非均质区域模拟溶质运移等方面具有较好的适用性。

Abstract

In recent years the multicomponent reactive transport model is widely used in earth science and environment field; however

some difficulties lie in its solution. To enhance computational efficiency a decoupling approach is advised to simplify the model. A decoupling approach is presented for heterogeneous media and used to solve the model in this situation. The whole domain is divided into several subdomains according to the reactions that may occur; and the corresponding decoupling matrix is obtained. The concentration boundary between sub-domains is set so that the models in each subdomain can be connected and solved together. A test of reactive transport in one-dimensional heterogeneous domain where reactions followed local equilibrium assumption is taken as an example. The model is solved by proposed method and by PHAST separately; and the corresponding results are compared. The results show that the concentration evolution and distribution solved by decoupling approach has a good agreement with ones solved by PHAST

so as to show that the proposed method has a good applicability.

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